Molecule

ID:76070

General Information

Structure

MolImage

Molecular Formula

C₁₁H₁₅N

Molecular Mass

161.2435

Exact Mass

161.12044949

Charge

0

InChI

InChI=1S/C11H15N/c1-9-5-2-3-6-10(9)11-7-4-8-12-11/h2-3,5-6,11-12H,4,7-8H2,1H3

InChIKey

RSXCTIINURQYGA-UHFFFAOYSA-N

Canonic Smiles

Cc1ccccc1C1CCCN1

Isomeric Smiles

N1CCCC1c1ccccc1C

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

-0.72691876

LogD (pH = 7.4)

-0.46874297

Log P

2.5105805

Molar Refractivity

51.5584

Polarizability

20.309036

Polar Surface Area

12.03

Rotatable Bonds

1

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

Bioactivity